SCHEMBL5733176

SCHEMBL5733176

Clc1ccccc1CSC1=NCCN1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.97
LMNA P02545 1/20 0.97
CYP2D6 P10635 3/20 0.58
CYP1A2 P05177 2/20 0.58
HIF1A Q16665 1/20 0.58
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GFER P55789 2/20 0.50
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3178763 0.83 KMT2A (0.68) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL3178319 0.82 KMT2A (0.68) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL5732043 0.81 KMT2A (0.67) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL2493368 0.81 KMT2A (0.67) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL5731047 0.81 KMT2A (0.67) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL5731969 0.81 KMT2A (0.67) KMT2ALMNACYP2D6CYP1A2HIF1A
Hydrochloric Acid SCHEMBL2493369 0.80 KMT2A (0.69) KMT2ALMNACYP2D6CYP1A2HIF1A
Bromide SCHEMBL3176423 0.80 KMT2A (0.65) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL5732756 0.80 KMT2A (0.64) KMT2ALMNACYP2D6CYP1A2HIF1A
SCHEMBL3163430 0.77 MAPT (0.65) KMT2ALMNACYP2D6CYP1A2HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 US disclosed
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 US disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 KMT2A 778/4885LMNA 1720/4885CYP2D6 4098/4885
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 KMT2A 778/4885LMNA 1720/4885CYP2D6 4098/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.